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drug-discovery

Search ChEMBL for bioactive compounds and calculate drug-likeness.

1|1|Updated May 25, 2026
Search Tags:#bioinformatics#drug discovery#cheminformatics#pharmacology#pharmacology research
One-click install
npx skills add https://github.com/aayushsoam/clawbot-agent --skill drug-discovery-aayushsoam
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: drug-discovery
Source: https://github.com/aayushsoam/clawbot-agent/tree/main/optional-skills/research/drug-discovery
Command: npx skills add https://github.com/aayushsoam/clawbot-agent --skill drug-discovery-aayushsoam

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires python3, curl, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill addresses the complex challenges of drug discovery by providing access to a suite of cheminformatics tools and databases, streamlining workflows and improving efficiency.

Core Features & Use Cases

  • Bioactive Compound Search: Search for compounds in ChEMBL, the world's largest open bioactivity database.
  • Drug-Likeness Calculation: Assess molecular properties against Lipinski's Rule of Five and Veber's Oral Bioavailability Rules.
  • Drug Interaction & Safety Lookup: Investigate drug-drug interactions and safety data via OpenFDA.
  • Target & Disease Literature: Retrieve literature on drug targets and associated diseases from OpenTargets.
  • Use Case: Imagine you are a medicinal chemist working on a new drug compound. Use this Skill to quickly assess its drug-likeness, search for similar compounds, and understand potential drug-drug interactions.

Quick Start

Search for bioactive compounds related to "EGFR" in ChEMBL using the drug-discovery skill.

Frequently Asked Questions about drug-discovery

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I calculate drug-likeness for a new compound using Lipinski's Rule of Five?▼

To calculate drug-likeness, this Skill assesses molecular properties against Lipinski's Rule of Five and Veber's Oral Bioavailability Rules. It evaluates your compound's structural data to determine if it meets the criteria for oral bioavailability.

How do I search ChEMBL for bioactive compounds related to a specific target?▼

You can search bioactive compounds in ChEMBL by querying a specific target like EGFR. The Skill queries the ChEMBL API to retrieve matching bioactivity records and compound details from the database.

Can I look up drug-drug interactions and safety data using OpenFDA?▼

Yes, you can investigate drug-drug interactions and look up safety data via OpenFDA. The Skill queries the OpenFDA API to retrieve regulatory safety profiles and known interaction warnings for your queried compounds.

Do I need Python to run cheminformatics workflows and query OpenTargets?▼

Yes, you need Python3 and curl installed to run these cheminformatics workflows. The Skill relies on Python scripts to execute API requests to OpenTargets, ChEMBL, PubChem, and OpenFDA for retrieving target literature.

What is the best way to retrieve literature on drug targets and associated diseases?▼

The best way to retrieve literature on drug targets and associated diseases is via the OpenTargets API. This Skill automates fetching relevant disease associations and target literature to support your pharmacology research.

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